SCHEMBL28974473

SCHEMBL28974473

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N2CCN(C3CCC(O)CC3)CC2=O)cc1)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.43
F11 P03951 1/20 0.42
CMA1 P23946 1/20 0.40
PABPC1 P11940 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGB5 P18084 1/20 0.39
SCN9A Q15858 4/20 0.38
CTSS P25774 6/20 0.38
CTSK P43235 5/20 0.38
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37
AKT1 P31749 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28974478 1.00 HDAC8 (0.43) HDAC8F11CMA1PABPC1ITGB3
SCHEMBL23486806 0.94 HDAC8 (0.41) HDAC8F11PABPC1ITGB3ITGB1
SCHEMBL29139699 0.94 HDAC8 (0.41) HDAC8F11PABPC1ITGB3ITGB1
SCHEMBL28974414 0.93 HDAC8 (0.42) HDAC8F11CMA1PABPC1ITGB3
SCHEMBL28974408 0.93 HDAC8 (0.42) HDAC8F11CMA1PABPC1ITGB3
SCHEMBL28974460 0.93 HDAC8 (0.43) HDAC8CMA1PABPC1ITGB3ITGB1
SCHEMBL28974464 0.93 HDAC8 (0.43) HDAC8CMA1PABPC1ITGB3ITGB1
SCHEMBL28974405 0.90 HDAC8 (0.43) HDAC8CMA1PABPC1ITGB3ITGB1
SCHEMBL28974409 0.90 HDAC8 (0.43) HDAC8CMA1PABPC1ITGB3ITGB1
SCHEMBL23486551 0.87 HDAC8 (0.40) HDAC8PABPC1ITGB3ITGB1ITGAV

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed